compound 12 [PMID: 12723943]


SMILES CCCN1C(=O)C(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2cccnc2)N=C(c2c1cccc2)C1CCCCC1
InChIKey AIHOVEHIRAAXQV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 579.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR5 CCR5 Human Chemokine A pKd 7.63 7.63 7.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR2 CCR2 Human Chemokine A pIC50 8.96 8.96 8.96 Guide to Pharmacology
CCR2 CCR2 Human Chemokine A pIC50 8.96 9.08 9.17 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 6.11 6.11 6.11 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 6.11 6.11 6.11 Guide to Pharmacology